N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide

C19H24N2O5S — CID 23628498

IUPACN-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide
SMILESC/C=C\CN(CC/C=C/C(=O)N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-3-4-12-20(27(24,25)17-10-8-16(2)9-11-17)13-6-5-7-18(22)21-14-15-26-19(21)23/h3-5,7-11H,6,12-15H2,1-2H3/b4-3-,7-5+
InChIKeyBCJGBAWEPMPQPB-QVXLNCAUSA-N
MW392.48 g/mol
LogP2.49
Rot. Bonds8

About N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide

N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide (PubChem CID 23628498) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide
PubChem CID23628498
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide
SMILESC/C=C\CN(CC/C=C/C(=O)N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-3-4-12-20(27(24,25)17-10-8-16(2)9-11-17)13-6-5-7-18(22)21-14-15-26-19(21)23/h3-5,7-11H,6,12-15H2,1-2H3/b4-3-,7-5+
InChIKeyBCJGBAWEPMPQPB-QVXLNCAUSA-N
XLogP2.49
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-1-(2,6-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 6020328
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one
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[2-(dimethylamino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2457681
(E)-1-(3,5-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 6000419
3-[(4-Methylphenyl)sulfonyl]-1,3-oxazolidin-2-one
CID 809333
4-[(E)-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 6179309
1-[4-(4-Methylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 7295613
1-(4-Tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone
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(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 11230938
(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide?
The IUPAC name of N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide (CID 23628498) is N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide?
The canonical SMILES for N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide is C/C=C\CN(CC/C=C/C(=O)N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide?
The InChIKey is BCJGBAWEPMPQPB-QVXLNCAUSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-4-12-20(27(24,25)17-10-8-16(2)9-11-17)13-6-5-7-18(22)21-14-15-26-19(21)23/h3-5,7-11H,6,12-15H2,1-2H3/b4-3-,7-5+.
What are the key properties of N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide?
N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide is sourced from PubChem (CID 23628498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).